2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8972 |
| Compound Name: | 2-amino-7,7-dimethyl-4-(4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}thiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C19 H20 N6 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2cc(CSc3nnnn3C)cs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8732 |
| logD: | 1.8732 |
| logSw: | -2.2974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.692 |
| InChI Key: | XPTHGAQXLXIICR-HNNXBMFYSA-N |